Materials Literature
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The use of micro-Raman spectroscopy, through chemical bond nano-scale probes, allows the changes in conformations (alpha helix -> beta sheet), chain orientation, disconnection of disulfide bonds (-20%) and the increase of intra and inter-chain distances during the strain to be distinguished. The combination of micro-R…
We present a computational LCHO-CI approach allowing for the simulation of exchange interactions in gated lateral quantum dot networks. The approach is based on single-particle states calculated using a linear combination of harmonic orbitals (LCHO) of each of the dots, and a configuration interaction (CI) approach to…
The interest of micro and tip-enhanced Raman spectroscopy to analyze nanosized and nanostructured materials, chiefly semiconductors, oxides and pristine or functionalized carbon nanotubes, is reviewed at the light of the contributions to this special issue. Particular attention is paid to the fact that chemical reacti…
Protein-protein interactions can be altered by mutating one or more "hot spots," the subset of residues that account for most of the interface's binding free energy. The identification of hot spots requires a significant experimental effort, highlighting the practical value of hot spot predictions. We present two know…
Abstract Nanoparticles can influence the properties of polymer materials by a variety of mechanisms. With fullerene, carbon nanotube, and clay or graphene sheet nanocomposites in mind, we investigate how particle shape influences the melt shear viscosity η and the tensile strength τ, which we determine via molecular d…
We describe how a recent efficient theory of low-energy electron diffraction (LEED) enables the determination of finite-size and disordered nanostructures. Our cluster approach, called NANOLEED, speeds up the computation to scale as $n\phantom{\rule{0.2em}{0ex}}\mathrm{log}\phantom{\rule{0.2em}{0ex}}n$, rather than th…
Abstract The synthesis of new functional amphiphiles 4 and 7 synthesized by DCC coupling of pyrenebutyric acid with first‐ and second‐generation Newkome‐type aminodendrons is reported. The crystal structure of the free amphiphilic tricarboxylic acid 4 exhibits efficient and cooperative usage of all possible hydrogen‐b…
Generally, phase transitions are seriously affected by spatial confinement. This effect is important for its own sake, but also for applications to nanotechnology. Here we report the first systematic experimental study on confinement effects on a liquid-liquid transition of a molecular liquid. We found that one liquid…
${\mathrm{Nd}}_{0.7}{\mathrm{Sr}}_{0.3}\mathrm{Mn}{\mathrm{O}}_{3}$ (NSMO) films $7--300\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$ thick have been grown on $(001){(\mathrm{La}\mathrm{Al}{\mathrm{O}}_{3})}_{0.3}{({\mathrm{Sr}}_{2}\mathrm{Al}\mathrm{Ta}{\mathrm{O}}_{6})}_{0.7}$ (LSAT) and $(001)\mathrm{Sr}\mathrm{Ti}{\math…
This work presents direct observations of orientational percolation and depolarization in a (001)-cut relaxor $\mathrm{Pb}{({\mathrm{In}}_{1∕2}{\mathrm{Nb}}_{1∕2})}_{0.70}{\mathrm{Ti}}_{0.30}{\mathrm{O}}_{3}$ (PINT30%) crystal by means of dielectric permittivity, depolarization current, domain structure, and hysteresi…
A guided-mode resonance (GMR) filter with wide angular tolerances is experimentally demonstrated as an authentication label illuminated with unpolarized white light. The proposed filter, based on a free-standing silicon nitride membrane suspended on a silicon substrate, is fabricated by using anisotropic wet etching t…
The alpha-cellulose content, holocellulose content and crystallinity index were measured for thirteen hardwood and five softwood samples, for which both cell-wall substance and cell-wall densities had been measured in an earlier study. Direct relationships were found between crystallinity index, alpha-cellulose conten…
The stochastic dynamics in molten nickel is studied by neutron scattering. The quasielastic spectrum shows two distinct components having disparate linewidths. The wave-vector dependence of the narrow component is shown to arise from incoherent scattering at low momentum transfers. In turn, the spectral half-width of…
Hollow microspherical tungsten carbide with mesoporosity was prepared by spray-drying sphere miniaturization/gas−solid reaction, using ammonium metatungstate (AMT) as a precursor, carbon monoxide as a reducing gas, and carbon dioxide as a carrier gas. The samples were characterized by XRD, SEM, and EDS. XRD and EDS re…
Porous solids are very important from a scientific point of view as they provide a medium in which to study the behavior of confined fluids. Although some porous solids have a well defined pore geometry such as zeolites, many porous solids lack crystalline order and are usually described as amorphous. The description…
Adsorbed silver nanoparticles were prepared by means of electron beam evaporation of silver on ultra thin Si-supported heptadecafluoro-1-decene plasma polymer films and self-assembled heptadecafluorodecyl-trimethoxysilane monolayers. The morphology of the silver nanoparticles, characterized by their size, size distrib…
Abstract Nature employs specialized macromolecules to produce highly complex structures and understanding the role of these macromolecules allows us to develop novel materials with interesting properties. Herein, we report the role of modified conjugated polymers in the nucleation, growth, and morphology of calcium ca…
We present a theory for size-dependent shapes of Pb nanoprecipitates in Al, introducing the concept of "magic shapes," i.e., shapes having near-zero homogeneous elastic strains. Our quantitative atomistic calculations of edge energies show their effect on precipitate shape to be negligible, thus it appears that shapes…
Reaction processes of poly[(R)-3-hydroxybutyric acid] (P(3HB)) with two types of poly(hydroxybutyric acid) (PHB) depolymerases secreted from Ralstonia pickettii T1 and Penicillium funiculosum were characterized by means of atomic force microscopy (AFM) and quartz crystal microbalance (QCM). The PHB depolymerase from R…
We report on the structure and magnetism of V-doped SnO 2 thin films grown by pulsed laser deposition. The structure and magnetic properties of the films strongly depend on the substrates on which the films are grown. Films grown on Al 2 O 3 substrates are single crystalline and show anisotropic in-plane magnetic mome…